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SummaryGeometryRelated PDB entries

6N2

Summary
Name:N-(2-{[2-(morpholin-4-yl)ethyl]amino}-1H-benzimidazol-5-yl)guanidine
Formula:C14 H21 N7 O
Formal charge:0
Formula weight:303.363 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(2-{[2-(morpholin-4-yl)ethyl]amino}-1H-benzimidazol-5-yl)guanidine
OpenEye OEToolkits2.0.41-[2-(2-morpholin-4-ylethylamino)-1~{H}-benzimidazol-5-yl]guanidine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N\C(=N)Nc3ccc2nc(NCCN1CCOCC1)nc2c3
InChIInChI1.03InChI=1S/C14H21N7O/c15-13(16)18-10-1-2-11-12(9-10)20-14(19-11)17-3-4-21-5-7-22-8-6-21/h1-2,9H,3-8H2,(H4,15,16,18)(H2,17,19,20)
InChIKeyInChI1.03GUEKBGQUTZFSQX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NC(=N)Nc1ccc2[nH]c(NCCN3CCOCC3)nc2c1
SMILESCACTVS3.385NC(=N)Nc1ccc2[nH]c(NCCN3CCOCC3)nc2c1
SMILES_CANONICALOpenEye OEToolkits2.0.4[H]/N=C(/N)\Nc1ccc2c(c1)nc([nH]2)NCCN3CCOCC3
SMILESOpenEye OEToolkits2.0.4c1cc2c(cc1NC(=N)N)nc([nH]2)NCCN3CCOCC3

222415

PDB entries from 2024-07-10

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